1H-Indole, 2-methyl-1-octyl-

HCID 170708

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Basic information

CAS: 42951-39-3
Standard SMILES: CCCCCCCCn1c(C)cc2ccccc21
InChIKey: MOVCYDNEZZZSLV-UHFFFAOYSA-N
Molecular formula: C17H25N
Average molar mass: 243.4 g/mol
Monoisotopic mass: 243.1986998

Names & identifiers

Preferred name: 1H-Indole, 2-methyl-1-octyl-
IUPAC: 2-methyl-1-octylindole
English name: 1-Octyl-2-methylindole
Molecular formula: C17H25N
Molecular weight: 243.39

Names & synonyms

2-Methyl-1-octyl-1H-indole1H-Indole, 2-methyl-1-octyl-2-Methyl-N-octylindoleEINECS 256-016-5DTXSID6068438RefChem:79876DTXCID3040198256-016-542951-39-32-methyl-1-octylindole1-OCTYL-2-METHYLINDOLEC17H25N

Show more names

1-Octyl-2-mthylindole2-METHYL-1-N-OCTYLINDOLEn-Octyl-1,2-methylindole2-methyl-1-octyl-1h-indol2-METHYL-1-OCTYLINDOLE / 1-OCTYL-2-METHYLINDOLE

MFCD04972092MUE6LN74XGN-octyl-2-methylindoleUNII-MUE6LN74XG2-methyl-1-octyl-indole1-n-octyl-2-methylindoleSCHEMBL4212491SCHEMBL11161798

Database identifiers

CAS: 42951-39-3
PubChem CID: 170708
DTXSID: DTXSID6068438
UNII: MUE6LN74XG
EC Number: 256-016-5
Nikkaji: J310.014F

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 4.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 226

Physicochemical properties

Boiling point: 367.3 · 367.3±11.0 °C(Predicted)
Density: 0.94 · 0.94±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
CAS DataBase Reference: 42951 · 42951-39-3(CAS DataBase Reference)
FDA UNII: 6 LN74XG · MUE6LN74XG
EPA Substance Registry System: 1 H-Indole, · 1H-Indole, 2-methyl-1-octyl- (42951-39-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
TSCA: TSCA listed

Safety & regulation

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501